SCHEMBL28318201

SCHEMBL28318201

O=CC1CCCNCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
CXCR4 P61073 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL519261 0.95
SCHEMBL28318269 0.93 ALDH1A1 (0.43) SMN1; SMN2CXCR4ALDH1A1SLC6A1SLC6A11
SCHEMBL28052778 0.93
Hydrochloric Acid SCHEMBL28791219 0.93 TSHR (0.31) SMN1; SMN2CXCR4ALDH1A1SLC6A1SLC6A11
SCHEMBL28299176 0.90 ALDH1A1 (0.45) SMN1; SMN2CXCR4ALDH1A1
SCHEMBL28317190 0.90 ALDH1A1 (0.45) SMN1; SMN2CXCR4ALDH1A1
SCHEMBL26870681 0.90 ALDH1A1 (0.45) SMN1; SMN2CXCR4ALDH1A1
Piperidine SCHEMBL971397 0.90 ALDH1A1 (0.45) SMN1; SMN2CXCR4ALDH1A1
SCHEMBL519071 0.87 ALDH1A1 (0.36) SMN1; SMN2CXCR4ALDH1A1TSHRLMNA
SCHEMBL28317188 0.85 ALDH1A1 (0.41) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099869-A Thermally responsive solution and method of use thereof 阿克福特斯技术有限公司 2019-08-06 CN disclosed